4-chloro-N-[(4-chloro-2-nitrophenyl)carbamothioyl]-1-ethyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-chloro-N-[(4-chloro-2-nitrophenyl)carbamothioyl]-1-ethyl-1H-pyrazole-5-carboxamide
4-chloro-N-[(4-chloro-2-nitrophenyl)carbamothioyl]-1-ethyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y509-0813 |
| Compound Name: | 4-chloro-N-[(4-chloro-2-nitrophenyl)carbamothioyl]-1-ethyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 388.23 |
| Molecular Formula: | C13 H11 Cl2 N5 O3 S |
| Smiles: | CCn1c(C(NC(Nc2ccc(cc2[N+]([O-])=O)[Cl])=S)=O)c(cn1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.6322 |
| logD: | 3.1509 |
| logSw: | -3.9491 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.577 |
| InChI Key: | SOUUDMBNZDVGGJ-UHFFFAOYSA-N |